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5,5'-Dinitro-2,2'-2,2'-Biphenyldiol

CAT: 1596-AR-B07347-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-B07347-01Size:10 Units
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CAS Number
32750-13-3
Molecular Formula
C12H8N2O6
Molecular Weight
276.20
API Name
Biphenyl

Chemical Information

2-(2-Hydroxy-5-nitrophenyl)-4-nitrophenol
CAS Number32750-13-3
PubChem CID3978845
IUPAC Name2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
Molecular FormulaC12H8N2O6
Molecular Weight276.20
XLogP2.5
Topological Polar Surface Area132
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity343
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])C2=C(C=CC(=C2)[N+](=O)[O-])O)O
InChI
InChI=1S/C12H8N2O6/c15-11-3-1-7(13(17)18)5-9(11)10-6-8(14(19)20)2-4-12(10)16/h1-6,15-16H
InChIKey
FRXHXPOXUZYRII-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Hydroxy-5-nitrophenyl)-4-nitrophenol
CAS: 32750-13-3
CID: 3978845
Formula: C12H8N2O6
MW: 276.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.20
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass276.03823598
Monoisotopic Mass276.03823598
Topological Polar Surface Area132 Ų
Heavy Atom Count20
Formal Charge0
Complexity343
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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